Complex eigenvalues from a sparse Hermitian matrix

Question

Bug introduced in 9.0 or earlier and persisting through 13.3.0.

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I notice in the following example that wrong complex eigenvalues are resulted if calculating from a Hermitian sparse matrix, which should by no means have unreal eigenvalues. However, it gives correct result if we

• calculate from the corresponding normal matrix

I found many cases with this behavior. Actually, it becomes complex once n>24.

I construct the big matrix from 2by2 building blocks A and B. It's just a piece of concise code to make the big matrix of the form like $ \begin{bmatrix} B & A[1] & 0 & 0 \\ A[-1] & B & A[1] & 0 \\ 0 & A[-1] & B & A[1] \\ 0 & 0 & A[-1] & B \end{bmatrix} $.

n = 25; Nless = 10;
BlockDiag[tt_, offset_] := 
  DiagonalMatrix[Hold /@ tt, offset] // ReleaseHold // ArrayFlatten;
A[pm_] := {{-1, pm I}, {pm I, 1}};
B = (2.0 - Sqrt[2]) {{1, 0}, {0, -1}};
M = SparseArray[
   BlockDiag[Table[B, {j, 1, n}], 0] + 
    BlockDiag[Table[A[1], n - 1], 2] + 
    BlockDiag[Table[A[-1], n - 1], -2]];
Reverse[Eigenvalues[M, -Nless]]

The result is

{-8.50551*10^-14, 8.50983*10^-14, 
 1.42089 + 0.0000210718 I, -1.42139 + 0.0000878787 I, -1.43983 - 
  0.0000374648 I, 1.44086 - 0.0000496205 I, 
 1.47277 + 0.000192942 I, -1.47298 - 0.0000263272 I, -1.516 - 
  0.000610613 I, 1.5161 - 0.0000292111 I}

The imaginary parts are not negligibly small. Knowing other strange behavior of sparse matrix, it looks not quite safe to calculate eigensystem of sparse matrix by default in Mathematica?

Answer 1

Very good observation. Indeed, this issue is really frustrating. To single out the issue: It seems that Arnoldi's method is to blame:

Max@Abs@Im@Eigenvalues[M, -Nless]
Max@Abs@Im@Eigenvalues[M, -Nless, Method -> "Arnoldi"]
Max@Abs@Im@Eigenvalues[M, -Nless, Method -> "Direct"]
Max@Abs@Im@Eigenvalues[M, -Nless, Method -> "FEAST"]

0.000610613

0.000610613

0

0

IRRC, Arnoldi's method may have problems when eigenvalues cluster around 0. Sometimes, introducing a shift into Arnoldi's method can help. Usually one shifts by a positive real number in order to make the matrix positive-definite. However, this changes also the ordering of the eigenvalues if the matrix is Hermiatian but not indefinite (an issue that has been also observed here several times). In my desperation, I tried to shift by I, and in this case, the imaginary parts are much smaller:

Max@Abs@Im@Eigenvalues[M, -Nless, Method -> {"Arnoldi", "Shift" -> I}]
Eigenvalues[M, -Nless, Method -> {"Arnoldi", "Shift" -> I}]

1.11022*10^-15

{1.51607, -1.51607, -1.473, 1.473, -1.44084, 1.44084, -1.42095, 1.42095, -8.51975*10^-14 + 8.88178*10^-16 I, 8.49552*10^-14 - 1.11022*10^-15 I}

To my surprise, the ordering of the eigenvalues seems to be more or less consistent with the outputs of the other methods (M has pairs of eigenvalues of same magnitude but with opposite signs. Since each numerical method may induce small erros, this can effect the default ordering which is by magnitude.)

No guarantees for the correctness of the results, though. I think a bug report is a good idea anyways.

Edit

While I first wondered why shifting by I works, it just came to my mind that the function $x \mapsto |x+I|$ is monotonically increasing on the positive real axis:

ParametricPlot[{Abs[x], Abs[x + I]}, {x, -4, 4}, 
 AxesLabel -> {"Abs[x]", "Abs[x+I]"}]

So for a Hermitian matrix M, the corresponding eigenvalues of M and M + I are in consistent ordering (up to numerical errors). And of course, this shift guarantees that 0 is not an eigenvalue of M + I. So, now I am more confident to suggest this hack.

Edit 2

Another curiosum: Also shifting by 0 or None seems to force the implementation of Arnoldi's method to branch to a more stable subroutine:

Max@Abs@Im@Eigenvalues[M, -Nless, Method -> {"Arnoldi", "Shift" -> 0}]
Max@Abs@Im@Eigenvalues[M, -Nless, Method -> {"Arnoldi", "Shift" -> None}]

9.76729*10^-6

4.84089*10^-17

I would not recommend to use this for larger matrices, though. Here is a significantly faster way to build larger versions of your matrix:

n = 250;
Nless = 10;
A[pm_] := N[{{-1, pm I}, {pm I, 1}}];
B = (2.0 - Sqrt[2]) {{1, 0}, {0, -1}};
M = Plus[
   SparseArray[
    {
     Band[{1, 1}] -> Table[B, {j, 1, n}],
     Band[{1, 3}] -> Table[A[1], n - 1],
     Band[{3, 1}] -> Table[A[-1], n - 1]
     },
    {n 2, n 2}], 0.
   ];

Running Arnoldi's method with "Shift" -> 0 for this bigger matrix returns an error:

Eigenvalues[M, -Nless, 
 Method -> {"Arnoldi", "Shift" -> 0, MaxIterations -> 10000}]

But it still seems to produce plausible results with "Shift" -> None without any complaints.